NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 544 R 4.2416 8.2549 120.8572 55.8862 31.2693 175.9771 545 Q 3.9956 8.3051 122.4845 55.6058 29.8105 173.3239 546 Q 4.6958 8.2827 118.9558 55.9753 32.5827 173.8034 547 F 5.0837 9.5465 125.0877 54.7093 42.9308 173.3791 548 P 4.4150 0.0000 0.0000 62.5521 31.9283 178.1742 549 V 3.3327 8.7442 117.0916 64.5727 31.6480 178.3044 550 E 3.9213 8.0512 117.6213 58.9176 29.2879 177.1789 551 H 4.7673 8.2901 114.0635 55.3210 29.6046 174.2793 552 V 4.3838 7.5814 121.4361 61.1985 33.5219 174.4754 553 Q 4.8451 8.5601 127.0069 54.3866 31.6228 174.5874 554 L 4.7166 8.6754 122.5889 53.7314 43.3320 175.9133 555 L 5.4913 8.3459 122.8505 51.6052 46.1276 175.3297 556 C 4.4172 8.5481 121.7845 59.2975 31.9611 173.7682 557 I 3.3096 8.3474 127.8305 64.3490 37.5619 175.7061 558 N 4.6165 8.5102 119.4093 55.3481 39.4313 175.3649 559 C 4.2630 7.9473 112.8703 59.0574 30.6601 174.5763 560 M 3.4162 8.3118 118.8032 56.0141 29.7151 177.0436 561 V 3.7666 7.2412 118.8659 60.9522 32.2794 175.3220 562 A 4.3511 8.6091 125.8469 52.9393 18.2247 177.2686 563 V 3.4898 8.5769 116.1067 61.7275 34.6188 175.6501 564 G 3.8277 7.2373 105.5933 45.7704 0.0000 171.2764 565 H 5.7365 7.6121 115.6077 52.5533 31.3607 175.8903 566 G 3.4189 8.9049 112.4606 47.7904 0.0000 175.1500 567 S 4.2106 7.7425 112.8756 59.7628 63.8216 174.4429 568 D 4.5845 8.1457 121.1504 54.7369 41.2640 176.1738 569 L 4.5481 7.1357 119.5794 54.7600 42.3569 176.7685 570 R 4.8392 8.6451 120.4809 54.5256 35.2576 173.9896 571 K 4.6188 8.6199 121.0656 54.8979 34.2085 175.5985 572 V 4.4085 8.6346 125.1138 61.5065 34.0626 175.4026 573 E 3.9298 9.9632 126.3218 57.4822 27.2583 175.5929 574 G 4.3159 8.6490 111.5833 46.0062 0.0000 175.5842 575 T 4.1998 7.5827 108.1705 63.3022 70.0604 175.0248 576 H 4.2962 7.7607 121.0329 55.6868 29.9606 174.2944 577 H 4.7667 8.6522 120.9867 54.4920 29.9727 174.8595 578 V 4.9896 8.0145 117.0173 59.0006 34.5784 174.3703 579 N 5.1149 8.3758 120.0254 51.9329 40.5712 174.3284 580 V 4.3735 8.0941 117.4320 60.9979 33.3423 175.1598 581 N 4.6048 9.0063 122.5230 52.3047 39.5096 173.9608 582 P 4.4319 0.0000 0.0000 66.1532 31.4601 177.8879 583 N 4.5704 8.5416 114.9327 54.9857 38.3759 176.5854 584 F 4.8592 8.5561 123.4454 61.2758 39.7377 176.7941 585 S 2.9064 8.2086 113.1096 60.3578 62.3632 175.4654 586 N 4.3966 7.7625 118.4689 54.7666 38.5751 174.5578 587 Y 4.8001 8.2312 117.8429 57.5299 40.6254 174.8817 588 Y 4.9979 7.0367 115.8156 54.9991 41.0139 175.0396 589 N 4.7643 9.0285 119.5001 52.4862 40.6613 174.1725 590 V 5.0450 8.2996 121.6448 61.3924 34.0257 175.0513 591 S 4.6670 9.0305 121.1119 56.5039 66.2087 174.1102 592 R 4.2888 8.8282 121.5213 55.3207 27.1095 176.1133 593 D 4.8671 7.6201 130.8365 52.6961 40.4812 174.5997 594 P 4.4528 0.0000 0.0000 63.0515 32.5347 176.2906 595 V 4.5329 7.8317 118.2342 61.9338 34.6008 174.1622 596 V 4.3185 7.8552 122.1196 61.7894 34.4284 174.8622 *601 F 4.5655 8.3620 125.5222 57.2591 39.1202 174.0332 602 K 4.5975 8.7866 119.3264 56.5381 34.6944 177.8881 603 D 4.8967 8.5341 116.3224 53.5479 41.4957 175.5235 604 W 5.2340 7.7942 118.6983 54.9579 32.7374 174.5405 605 K 4.7676 9.0051 124.5523 54.0253 33.4878 174.4073 606 P 4.9162 0.0000 0.0000 62.5176 31.7128 176.2183 607 G 4.2427 9.0375 113.3209 46.6398 0.0000 174.8187 608 G 4.1909 9.3164 114.7107 44.8597 0.0000 172.0338 609 V 4.4207 8.6733 120.4887 62.5378 32.9611 174.6904 610 I 5.1227 8.7689 128.4313 59.6768 39.7508 174.8172 611 S 4.5687 8.7227 119.8073 56.4942 67.1579 172.8716 612 C 3.3573 7.9925 122.5907 59.2545 31.4549 174.2193 613 R 3.7834 8.7924 128.0455 59.0477 29.5263 176.6681 614 N 4.7358 8.2300 115.4815 54.1347 39.9753 174.6691 615 C 4.6690 7.7563 108.6292 56.6553 31.0815 174.7980 616 G 3.8227 8.2385 108.5565 45.1205 0.0000 173.4610 617 E 4.0476 7.7671 119.6844 56.4790 30.6203 176.3237 618 V 4.0965 8.4036 124.4753 62.8624 31.8787 175.4894 619 W 5.0054 9.5743 127.6538 55.2548 31.1169 176.9874 620 G 4.4170 7.3924 105.6954 45.6430 0.0000 170.5411 621 L 5.2578 7.5915 120.0698 53.9912 44.5287 176.4533 622 Q 4.7492 9.3658 119.4462 56.3834 30.4004 174.8944 623 M 5.2626 9.2284 120.4716 54.1202 36.0591 173.9503 624 I 6.0521 9.1658 125.4360 59.1553 41.8752 174.0900 625 Y 4.0548 8.2045 125.8577 56.1116 41.5913 174.6707 626 K 3.6457 8.7821 129.1117 57.5799 30.5708 174.9882 627 S 4.1326 8.2254 107.8130 58.1193 61.1628 167.7954 628 V 4.6333 7.6223 118.2917 61.0579 34.0545 174.4244 629 K 5.2108 8.9767 126.5378 54.9078 34.1450 175.2998 630 L 4.9777 9.3081 125.8372 51.9394 45.4624 174.3330 631 P 4.6193 0.0000 0.0000 62.5366 32.7624 175.1439 632 V 4.3322 8.7418 126.3776 61.7956 32.7229 174.5342 633 L 5.1788 8.9321 128.8834 53.4996 43.2946 176.4474 634 K 4.6018 9.3859 124.0521 55.6105 33.1743 178.4711 635 V 2.1674 8.4511 124.6950 64.3572 31.1323 177.9710 636 R 4.0507 7.6498 118.0599 57.3576 30.3352 176.4182 637 S 4.6226 8.0021 111.4406 59.1452 63.8097 173.1145 638 M 4.7848 7.6808 121.0205 53.5399 34.5301 175.0733 639 L 4.4896 8.7097 125.0507 53.2767 44.4314 175.3179 640 L 4.4233 8.6871 128.0738 54.3816 42.8551 176.0956 641 E 4.5384 9.1929 128.0637 55.0478 29.2736 175.8650 642 T 4.1224 8.7044 117.2352 59.2144 70.0802 174.7273 643 P 4.3159 0.0000 0.0000 64.7198 31.4013 177.2359 644 Q 4.1667 7.6818 120.2875 57.5628 29.9804 175.8192 645 G 3.6715 6.4689 105.8640 44.7144 0.0000 171.6181 646 R 5.1866 8.2814 122.7775 54.3211 32.4850 175.7313 647 I 4.6927 8.9476 118.0559 58.9229 40.8564 174.1347 648 Q 4.7253 8.7281 123.5753 54.5719 30.0656 175.2172 649 A 4.4678 8.2857 126.3621 50.6001 21.0062 175.9648 650 K 4.4271 8.1306 116.9033 55.7092 33.8783 175.9471 651 K 4.5350 7.3636 116.9729 55.1117 36.2524 177.1208 652 W 4.0720 8.8152 123.6567 59.7968 29.1253 178.0268 653 S 4.4516 8.1875 109.8068 59.7999 62.2877 174.4439 654 R 4.5707 7.7204 119.2623 56.0654 30.8982 175.7952 655 V 3.8492 7.3944 112.0988 59.9254 32.4337 176.5446 656 P 4.8007 0.0000 0.0000 61.8634 30.5070 175.5759 657 F 5.0935 7.9398 112.4793 57.7744 40.8543 172.7964 658 S 4.7048 8.7876 117.1943 56.8236 64.3029 174.1961 659 V 4.3297 8.1505 124.2039 60.2452 32.5297 173.4734 660 P 4.4780 0.0000 0.0000 62.6366 32.4018 175.9319 661 D 4.9188 8.5768 122.3450 54.3473 41.7096 175.8861 662 F 4.3633 9.1834 125.3235 58.3318 40.3302 174.9321 663 D 4.4056 8.2091 126.0767 52.2145 40.4515 176.0709 664 F 3.6149 8.1496 126.9851 60.9024 39.7581 175.8729 665 L 4.0671 8.0153 117.8728 58.2099 41.2770 179.4449 666 Q 3.9646 7.9911 116.8747 59.0394 29.2547 177.0353 667 H 4.2997 8.0042 119.2608 58.5957 30.1815 176.0244 668 C 4.3860 7.6079 119.8539 59.7051 26.6763 173.7381 669 A 4.6260 8.0407 119.9593 52.1093 17.8965 177.5166 670 E 4.7149 7.5170 116.0348 56.5118 30.9722 178.0007 671 N 4.3011 8.5565 118.8588 56.8840 39.3959 175.7722 672 L 4.0559 8.0828 116.4775 57.8917 41.7490 178.0975 673 S 4.4951 7.3119 111.9706 57.6299 64.0941 174.0603 674 D 4.7275 8.6473 120.4684 54.0703 40.6736 173.5939 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 544 R 8.25 4.24 0.00 1.78 1.88 0.00 3.20 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 545 Q 8.31 4.00 0.00 2.14 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.48 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 546 Q 8.28 4.70 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 547 F 9.55 5.08 0.00 2.94 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 P 0.00 4.42 0.00 1.83 1.91 0.00 3.90 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 549 V 8.74 3.33 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.88 0.00 0.00 550 E 8.05 3.92 0.00 1.69 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 551 H 8.29 4.77 0.00 3.25 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 V 7.58 4.38 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.85 0.00 0.00 553 Q 8.56 4.85 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 554 L 8.68 4.72 0.00 1.43 1.38 0.68 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 555 L 8.35 5.49 0.00 1.52 1.39 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 556 C 8.55 4.42 0.00 3.46 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 I 8.35 3.31 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.81 1.01 0.00 0.00 558 N 8.51 4.62 0.00 2.79 2.83 0.00 0.00 7.00 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 C 7.95 4.26 0.00 3.21 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 M 8.31 3.42 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 561 V 7.24 3.77 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.07 0.00 0.00 562 A 8.61 4.35 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 563 V 8.58 3.49 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.67 0.00 0.00 564 G 7.24 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 H 7.61 5.74 0.00 3.10 3.04 0.00 5.91 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 566 G 8.90 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 S 7.74 4.21 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 568 D 8.15 4.58 0.00 2.66 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 569 L 7.14 4.55 0.00 1.62 1.42 1.04 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 570 R 8.65 4.84 0.00 1.65 1.71 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 571 K 8.62 4.62 0.00 1.71 1.71 0.00 1.87 0.00 0.00 1.51 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.77 1.09 7.81 572 V 8.63 4.41 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.41 0.00 0.00 573 E 9.96 3.93 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 574 G 8.65 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 T 7.58 4.20 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 576 H 7.76 4.30 0.00 3.12 3.28 0.00 5.79 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 H 8.65 4.77 0.00 1.74 2.11 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 V 8.01 4.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.41 0.00 0.00 579 N 8.38 5.11 0.00 2.20 2.39 0.00 0.00 6.81 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 V 8.09 4.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 1.02 0.00 0.00 581 N 9.01 4.60 0.00 3.07 2.87 0.00 0.00 6.94 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 P 0.00 4.43 0.00 2.38 2.38 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 583 N 8.54 4.57 0.00 3.04 3.09 0.00 0.00 6.76 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 F 8.56 4.86 0.00 3.29 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 585 S 8.21 2.91 0.00 3.71 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 N 7.76 4.40 0.00 2.43 2.51 0.00 0.00 6.79 8.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 587 Y 8.23 4.80 0.00 3.09 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 Y 7.04 5.00 0.00 2.82 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 589 N 9.03 4.76 0.00 2.55 2.71 0.00 0.00 6.46 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 590 V 8.30 5.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.17 0.00 0.00 591 S 9.03 4.67 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 R 8.83 4.29 0.00 1.86 2.04 0.00 3.01 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 593 D 7.62 4.87 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 594 P 0.00 4.45 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 595 V 7.83 4.53 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.03 0.00 0.00 596 V 7.86 4.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 *601 F 8.36 4.57 0.00 3.06 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 602 K 8.79 4.60 0.00 1.93 1.97 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.44 7.81 603 D 8.53 4.90 0.00 2.78 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 604 W 7.79 5.23 0.00 2.39 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 605 K 9.01 4.77 0.00 1.72 1.80 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.53 7.81 606 P 0.00 4.92 0.00 2.20 2.32 0.00 3.93 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 607 G 9.04 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 G 9.32 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 609 V 8.67 4.42 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 610 I 8.77 5.12 1.95 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.61 0.65 0.00 0.00 611 S 8.72 4.57 0.00 3.80 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 C 7.99 3.36 0.00 2.47 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 613 R 8.79 3.78 0.00 1.81 1.91 0.00 3.17 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 614 N 8.23 4.74 0.00 2.75 2.89 0.00 0.00 6.73 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 615 C 7.76 4.67 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 G 8.24 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 617 E 7.77 4.05 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 618 V 8.40 4.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 619 W 9.57 5.01 0.00 3.33 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 G 7.39 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 621 L 7.59 5.26 0.00 1.82 1.74 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 622 Q 9.37 4.75 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 623 M 9.23 5.26 0.00 1.91 1.70 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 624 I 9.17 6.05 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.17 1.03 0.00 0.00 625 Y 8.20 4.05 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 K 8.78 3.65 0.00 0.79 1.69 0.00 1.29 0.00 0.00 0.85 0.00 0.00 2.63 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.13 1.27 7.81 627 S 8.23 4.13 0.00 4.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 628 V 7.62 4.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.17 0.00 0.00 629 K 8.98 5.21 0.00 1.78 1.84 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.54 7.81 630 L 9.31 4.98 0.00 1.25 1.32 0.28 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 631 P 0.00 4.62 0.00 2.21 1.94 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 632 V 8.74 4.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.91 0.00 0.00 633 L 8.93 5.18 0.00 1.72 1.88 0.82 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 634 K 9.39 4.60 0.00 1.86 1.77 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.48 7.81 635 V 8.45 2.17 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 -0.20 0.00 0.00 636 R 7.65 4.05 0.00 1.68 1.92 0.00 3.17 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 637 S 8.00 4.62 0.00 4.27 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 638 M 7.68 4.78 0.00 1.81 1.81 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 639 L 8.71 4.49 0.00 1.66 1.47 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 640 L 8.69 4.42 0.00 1.73 1.68 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 641 E 9.19 4.54 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 642 T 8.70 4.12 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 643 P 0.00 4.32 0.00 2.27 2.20 0.00 2.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 644 Q 7.68 4.17 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 645 G 6.47 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 646 R 8.28 5.19 0.00 1.65 1.81 0.00 3.14 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 647 I 8.95 4.69 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 0.91 0.00 0.00 648 Q 8.73 4.73 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.87 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 649 A 8.29 4.47 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 650 K 8.13 4.43 0.00 1.56 1.67 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.39 7.81 651 K 7.36 4.53 0.00 1.72 1.59 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.39 7.81 652 W 8.82 4.07 0.00 3.25 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 653 S 8.19 4.45 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 654 R 7.72 4.57 0.00 1.85 1.86 0.00 3.10 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 655 V 7.39 3.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.54 0.00 0.00 656 P 0.00 4.80 0.00 2.81 2.51 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.10 0.00 657 F 7.94 5.09 0.00 3.12 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 658 S 8.79 4.70 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 659 V 8.15 4.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.18 0.00 0.00 660 P 0.00 4.48 0.00 2.11 1.96 0.00 3.66 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 661 D 8.58 4.92 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 F 9.18 4.36 0.00 2.78 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 663 D 8.21 4.41 0.00 2.66 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 664 F 8.15 3.61 0.00 2.89 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 665 L 8.02 4.07 0.00 1.76 1.69 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 666 Q 7.99 3.96 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.10 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 667 H 8.00 4.30 0.00 3.30 3.28 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 C 7.61 4.39 0.00 3.13 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 669 A 8.04 4.63 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 670 E 7.52 4.71 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 671 N 8.56 4.30 0.00 2.62 2.82 0.00 0.00 7.17 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 672 L 8.08 4.06 0.00 1.66 1.76 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 673 S 7.31 4.50 0.00 3.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 674 D 8.65 4.73 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.